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CHEBI:66580 - lissoclibadin 2

ChEBI IDCHEBI:66580
ChEBI Namelissoclibadin 2
Stars
DefinitionAn organosulfur heterocyclic compound isolated from the ascidian Lissoclinum badium. It has been shown to exhibit cytotoxicity against human cancer cell lines.
Last Modified27 November 2014
DownloadsMolfile
FormulaC26H38N2O4S5
Net Charge0
Average Mass602.935
Monoisotopic Mass602.14351
SMILESCOc1c(SC)c(CCN(C)C)c2sc3c(OC)c(OC)c(SC)c(CCN(C)C)c3ssc2c1OC
InChIInChI=1S/C26H38N2O4S5/c1-27(2)13-11-15-21(33-9)18(30-6)20(32-8)26-23(15)35-25-19(31-7)17(29-5)22(34-10)16(12-14-28(3)4)24(25)36-37-26/h11-14H2,1-10H3
InChIKeyMGWYCLOYGLKCFF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lissoclinum badium (ncbitaxon:322848) - PubMed (17268087)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
lissoclibadin 2 (CHEBI:66580) has role animal metabolite (CHEBI:75767)
lissoclibadin 2 (CHEBI:66580) has role antineoplastic agent (CHEBI:35610)
lissoclibadin 2 (CHEBI:66580) has role marine metabolite (CHEBI:76507)
lissoclibadin 2 (CHEBI:66580) is a aromatic ether (CHEBI:35618)
lissoclibadin 2 (CHEBI:66580) is a aryl sulfide (CHEBI:35683)
lissoclibadin 2 (CHEBI:66580) is a organic heterotricyclic compound (CHEBI:26979)
lissoclibadin 2 (CHEBI:66580) is a organosulfur heterocyclic compound (CHEBI:38106)
lissoclibadin 2 (CHEBI:66580) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
2,2'-[3,4,9,10-tetramethoxy-2,8-bis(methylsulfanyl)dibenzo[c,f][1,2,5]trithiepine-1,7-diyl]bis(N,N-dimethylethanamine)
Registry NumbersSources
Reaxys:10130382Reaxys
Citations